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Journal of Molecular Graphics & Modelling|August 18, 2020
A cheminformatic study on chemical space characterization and diversity analysis of 5-LOX inhibitorsT K Shameera Ahamed, K MuraleedharanJournal of Molecular Graphics & Modelling|July 4, 2020
Network analysis of hydroxymethylbilane synthase dynamicsBroto Chakrabarty, Dibyajyoti Das, Navneet Bung, et al.Journal of Molecular Graphics & Modelling|April 22, 2021
Fibril fragments from the amyloid core of lysozyme: An accelerated molecular dynamics studyElena A Ermakova, Olga N Makshakova, Yuriy F Zuev, et al.Journal of Molecular Graphics & Modelling|March 31, 2023
Electronic and optical aspects of novel quinoxaline derivatives as electron donor materials for bulk heterojunction solar cellsAbdelkhalk Aboulouard, Nefise Demir, Mustafa Can, et al.Journal of Molecular Graphics & Modelling|April 2, 2023
Molecular dynamics-derived pharmacophores of Schistosoma glutathione transferase in complex with bromosulfophthalein: Screening and analysis of potential inhibitorsAkeel Valli, Ikechukwu AchilonuJournal of Molecular Graphics & Modelling|April 15, 2021
Predicting aqueous solubility by QSPR modelingNastaran Meftahi, Michael L Walker, Brian J SmithJournal of Molecular Graphics & Modelling|April 15, 2021
Fracture fingerprint of polycrystalline C3N nanosheets: Theoretical basisBabak Bagheri, Maryam Zarghami Dehaghani, Mohammad Esmaeili Safa, et al.Journal of Molecular Graphics & Modelling|April 13, 2021
Grand canonical Monte Carlo simulations of methane adsorption in fullerene pillared graphene nanocompositesCengiz Baykasoglu, Humeyra Mert, Celal Utku DenizJournal of Molecular Graphics & Modelling|June 24, 2008
QM/QM studies for Michael reaction in coronavirus main protease (3CL Pro)Alex G Taranto, Paulo Carvalho, Mitchell A AveryJournal of Molecular Graphics & Modelling|June 6, 2006
A computational study of sulfur bridged cyclooctatetraenophanesScott E McKay, Robert W Lashlee, Bryce A Holthouse, et al.Pageof 408